5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide

C14H19BrN2O3S — CID 65388297

IUPAC5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H19BrN2O3S/c1-3-17(8-10-4-5-10)14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-7,10H,3-5,8H2,1-2H3,(H2,16,19,20)
InChIKeyCINFOKWFACDHKC-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.28
Rot. Bonds5

About 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide

5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide (PubChem CID 65388297) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
PubChem CID65388297
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H19BrN2O3S/c1-3-17(8-10-4-5-10)14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-7,10H,3-5,8H2,1-2H3,(H2,16,19,20)
InChIKeyCINFOKWFACDHKC-UHFFFAOYSA-N
XLogP2.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485
5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 65387721
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65388304
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
4-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65397831
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
5-[cyclopropylmethyl(ethyl)carbamoyl]-2,4-dimethylbenzenesulfonyl chloride
CID 65397254
3-[(5-bromo-2-methyl-3-sulfamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122111706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide (CID 65388297) is 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide is CCN(CC1CC1)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide?
The InChIKey is CINFOKWFACDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c1-3-17(8-10-4-5-10)14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-7,10H,3-5,8H2,1-2H3,(H2,16,19,20).
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide?
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide has a molecular weight of 375.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65388297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).